CID 3071437

N-(dipropylaminomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C15H32N2O
SMILES
CCCN(CCC)CNC(=O)C(CC)C(C)CC
InChI
InChI=1S/C15H32N2O/c1-6-10-17(11-7-2)12-16-15(18)14(9-4)13(5)8-3/h13-14H,6-12H2,1-5H3,(H,16,18)
InChIKey
AZZNQXTXNASZNH-UHFFFAOYSA-N
Compound name
N-[(dipropylamino)methyl]-2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.25146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.25874 172.2
[M+Na]+ 279.24068 173.8
[M-H]- 255.24418 172.5
[M+NH4]+ 274.28528 189.2
[M+K]+ 295.21462 173.9
[M+H-H2O]+ 239.24872 165.2
[M+HCOO]- 301.24966 193.0
[M+CH3COO]- 315.26531 210.5
[M+Na-2H]- 277.22613 170.2
[M]+ 256.25091 175.2
[M]- 256.25201 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.